Geometry & MOs

Info

ID:	310319
PubChem CID:	126578660
Reduced:	PN2O7C20H23 (1)
Stoich.:	AB2C7D20E23 (1)
Weight, g/mol:	293.112404
ΔH_f, kcal/mol:	-247.92
Dipole, Da:	8.4
IP(EA), eV:	-9.76(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R,5R)-2-(hydroxymethyl)-5-[6-(methyliminomethyl)purin-9-yl]oxolane-3,4-diol

Drug info:

PubChemData

Smile

C[C@H](C(=O)OC1CCCC1)NP(=O)(OC2=CC=CC=C2)OC3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations